HYPERPOLARIZABILITIES

作品数：22被引量：3H指数：1
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相关领域：理学更多>>
相关作者：刘凯王彦华更多>>
相关机构：临沂大学更多>>
相关期刊：《PhotoniX》《Chinese Journal of Chemistry》《Science China(Physics,Mechanics & Astronomy)》《Science China Chemistry》更多>>
相关基金：国家自然科学基金福建省自然科学基金Scientific Research Foundation for the Returned Overseas Chinese Scholars, State Education Ministry国家重点基础研究发展计划更多>>
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Relativistic hyperpolarizabilities of atomic H,Li,and Be^(+)systems
《Chinese Physics B》2025年第2期230-239,共10页Shan-Shan Lu Hong-Yuan Zheng Zong-Chao Yan James F.Babb Li-Yan Tang 
supported by the National Natural Science Foundation of China(Grant Nos.12174402 and 12393821);the Strategic Priority Research Program of the Chinese Academy of Sciences(Grant Nos.XDB0920100 and XDB0920101);the Nature Science Foundation of Hubei Province(Grant Nos.2019CFA058 and 2022CFA013);supported by the Natural Sciences and Engineering Research Council of Canada(NSERC);supported in part by NSF grant PHY-2116679.All the calculations are finished on the APM-Theoretical Computing Cluster(APMTCC)。
For atoms in external electric fields,the hyperpolarizabilities are the coefficients describing the nonlinear interactions contributing to the induced energies at the fourth power of the applied electric fields.Accura...
关键词：HYPERPOLARIZABILITIES Stark effect fourth-order perturbation few-electron atoms 
Recent progress in electro-optic polymer for ultra-fast communication被引量：2
《PhotoniX》2021年第1期261-278,共18页Fateh Ullah Niping Deng Feng Qiu 
The rocketed development concerning electro-optic polymers fundamentally motivated by its pragmatic application in envisioning second-order nonlinear optics and waveguiding are cardinal.Modern synthetic strategies con...
关键词：Electro-optic polymers Electro-optic coefficient Hyperpolarizabilities polymers CHROMOPHORES 
Density Functional Theory Study on the First Hyperpolarizabilities of Mono-and Bimetal Ir(Ⅰ)/Rh(Ⅰ)2,2'-Bidipyrrins Complexes
《Chinese Journal of Structural Chemistry》2017年第6期877-885,共9页JING Li-Xue WANG Li CHEN Zhen-Zhen CHEN He QIU Yong-Qing 
Supported by the National Natural Science Foundation of China(No.21173035);the “12th Five-Year” Science and Technology Research Project of the Education Department of Jilin Province([2016]494)
Metal complexes with excellent nonlinear optical（NLO） properties have attracted considerable attention. The geometry structure, electronic spectra and NLO properties of 2,2？-bidipyrrins（L） and mono-and bimetal Ir...
关键词：Ir（I）/Rh（I） complexes DFT second-order NLO response  charge-transfer 
Hyperpolarizabilities of alkaline-earth metal ions Be^+, Mg^+, and Ca^+
《Science China(Physics,Mechanics & Astronomy)》2016年第9期33-38,共6页Dong Yin Yong-Hui Zhang Cheng-Bin Li Ke-Lin Gao Ting-Yun Shi 
supported by the National Natural Science Foundation of China (Grant No. 91536102);the National Basic Research Program of China (Grant No. 2012CB821305)
The knowledge of the hyperpolarizabilities of atoms and ions is helpful for the analysis of the high order effects of the frequency shifts in precision spectroscopy experiments. Liu et al. [Phys. Rev. Lett. 114, 2230...
关键词：HYPERPOLARIZABILITY alkaline-earth metal ion finite field method 
Natural Bond Orbital(NBO)Population Analysis,First Order Hyperpolarizabilities and Thermodynamic Properties of Cyclohexanone
《光谱学与光谱分析》2015年第6期1506-1511,共6页Rubarani P.Gangadharan S.Sampath Krishnan 
The molecular structure of cyclohexanone was calculated by the B3LYP density functional model with 6-31G(d,p)and 6-311++G(d,p)basis set by Gaussian program.The results from natural bond orbital(NBO)analysis have been ...
关键词：Density functional theory(DFT) Natural Bond Orbital(NBO)Analysis HYPERPOLARIZABILITY 
Polarizabilities and Hyperpolarizabilities for Lithium Atoms in Debye Plasmas
《Communications in Theoretical Physics》2014年第12期881-887,共7页康帅 贺娟 许宁 陈昌永 
Supported by the National Natural Science Foundation of China under Grant No.11464052;the Science and Technology Foundation of Guizhou Province under Grant Nos.J[2012]2345,LKZS[2012]02,and LKZS[2014]05;the Special Fundation of Governor of Guizhou Province for Science and Technology and Education Talents under Grant No.[2012]87;the Key Project of Education Department of Guizhou Province under Grant No.KY(2013)171;the Doctor Foundation of Zunyi Normal College under Grant No.2012BSJJ17;the Key Disciplines of Guizhou Province under Grant No.QXWB[2013]18
The effects of plasma environments on energies, oscillator strengths, polarizabilities and hyperpolarizabilities for lithium atom have been calculated by combining the l-dependent model potential of free lithium atom ...
关键词：PLASMAS POLARIZABILITIES B-SPLINE DEBYE screened potential Lithium ATOM 
Ab initio simulation of the sum-frequency generation response of optically active liquids in the presence of a dc electric field —determination of the absolute molecular configuration
《Science China Chemistry》2014年第10期1405-1408,共4页CHAMPAGNE Benot QUINET Olivier 
The calculations were performed on the computing facilities of the Consortium deséquipements de Calcul Intensif(CéCI),in particular those of the Plateforme Technologique de Calcul Intensif(PTCI)installed in the University of Namur,for which we gratefully acknowledge financial support of the FNRS-FRFC(2.4.617.07.F,2.5020.11)
Quantum chemical computations have been performed to evaluate the first and second hyperpolarizability quantities of the interference term, linear in the external static electric field, that appear in the electric fie...
关键词：second and third hyperpolarizabilities chirality nonlinear optics time-dependent Hartree-Fock 
The Spectroscopic and Electronic Properties of Dimethylpyrazole and Its Derivatives Using the Experimental and Computational Methods
《光谱学与光谱分析》2014年第9期2305-2319,共15页Adebayo A Adeniyi Peter A Ajibade 
financial support of Govan Mbeki Research and Development Centre,University of Fort Hare,South Africa
In this paper the spectroscopic and the geometric properties of four ligands with pyrazole unit are studied at both experimental and computational levels.The computational results are perfectly in good agreement with ...
关键词：HYPERPOLARIZABILITIES RAMAN spectra IR 1 H-NMR 13 C-NMR ISOTROPIC SHIELDING 
Theoretical Study on First Hyperpolarizabilities of End-Capped Triply Branched Dendrimers
《Chinese Journal of Chemical Physics》2011年第4期444-450,I0004,共8页王彦华 刘凯 
We thank Prof. Yi Luo, Jiirgen Heck, and Hans- Georg Kuball for constructive suggestions. This work was supported by the Scientific Research Foundation for the Returned Overseas Chinese Scholars, State Education Ministry and the Natural Science Foundation of Shandong Province, China （No.Q2008A06）.
A series of end-capped triply branched dendritic chromophores have been studied by means of density functional theory calculations. It is found that the second order nonlinear optical properties of the end-capped dend...
关键词：Dendritic chromophore Nonlinear optical HYPERPOLARIZABILITY 
Effects of polarons on static polarizabilities and second order hyperpolarizabilities of conjugated polymers被引量：1
《Chinese Physics B》2010年第12期1-8,共8页王亚东 孟艳 邸冰 王淑玲 安忠 
Project supported by the National Natural Science Foundation of China(Grant No.10574037);the Program for New Century Excellent Talents in University of Ministry of Education of China(Grant No.NCET-05-0262);the Hebei Provincial Outstanding Youth Science Fund(Grant No.A2009001512);the Key Project of Ministry of Education of China(Grant No.210021);the Natural Science Fund of Hebei Province,China(Grant No.A2010000357);the Educational Commission of Hebei Province, China(Grant No.2007124)
According to the one-dimensional tight-binding Su-Schrieffer-Heeger model, we have investigated the effects of charged polarons on the static polarizability, axx, and the second order hyperpolarizabilities, γxxxx, of...
关键词：POLARON nonlinear optics conjugated polymer 
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